1-Chloro-3-(trifluoromethoxy)benzene

C7H4ClF3OCAS 772-49-6196.55 g/mol

Open in Covalent MOL file
ClOFFF
Alkyl halideAryl halideEther

Properties

Molecular formula
C7H4ClF3O
Molar mass
196.55 g/mol
Exact mass
195.9903 Da
logP
3.24Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number
772-49-6
SMILES
C1=CC(=CC(=C1)Cl)OC(F)(F)F
InChIKey
OLDJEKBXICPMAS-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 3-(Trifluoromethoxy)chlorobenzene

Work with 1-Chloro-3-(trifluoromethoxy)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(Trifluoromethoxy)fluorobenzene1077-01-664 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-762 % similar 3-(Trifluoromethoxy)anisole142738-94-160 % similar 3-(Trifluoromethoxy)aniline1535-73-560 % similar 3-(Trifluoromethoxy)iodobenzene198206-33-660 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-060 % similar 3-(Trifluoromethoxy)phenol827-99-660 % similar (Trifluoromethoxy)benzene456-55-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-(trifluoromethyl)phenol138377-34-1 3-Chloro-4-hydroxybenzotrifluoride35852-58-5 2-Chloro-5-(trifluoromethyl)phenol40889-91-6 2-(Trifluoromethoxy)chlorobenzene450-96-4 1-Chloro-4-(trifluoromethoxy)benzene461-81-4 3-Chloro-5-hydroxybenzotrifluoride570391-18-3 4-Chloro-3-(trifluoromethyl)phenol6294-93-5

Elsewhere

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